CID 18426409

Cyclopentyloxybenzene

Structural Information

Molecular Formula
C11H14O
SMILES
C1CCC(C1)OC2=CC=CC=C2
InChI
InChI=1S/C11H14O/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2
InChIKey
NNKOHFRNPSBBQP-UHFFFAOYSA-N
Compound name
cyclopentyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

522
Patents

162.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 134.7
[M+Na]+ 185.09368 140.5
[M-H]- 161.09718 140.8
[M+NH4]+ 180.13828 156.7
[M+K]+ 201.06762 138.5
[M+H-H2O]+ 145.10172 128.4
[M+HCOO]- 207.10266 158.3
[M+CH3COO]- 221.11831 175.8
[M+Na-2H]- 183.07913 139.9
[M]+ 162.10391 132.0
[M]- 162.10501 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe